Bbiblioteki

library(dplyr)
library(knitr)
library(corrplot)
library(ggplot2)
library(plotly)
library(e1071)

Ustawienie ziarna

 set.seed(1); 

Wczytanie wstepnie przetworzonych danych

Csv zostal przygotowany w ‘Raport-czytanie i czyszczenie’

#Data <- read.csv("MyData.csv",  sep=',', comment.char="", na.strings='nan', header=TRUE)
Data <- read.csv("MyData.csv",nrow=250000,  sep=',', comment.char="", na.strings='nan', header=TRUE)

Załadowano 250000 wierszy, które mają 343 zmiennych.

Ograniczenie danych do najczęstszych

Wyselekcjonowanie 50 najczęstszych grup

Data[!duplicated(select(Data, pdb_code, res_name)),] %>% group_by(res_name) %>%summarise(count = n()) %>% arrange(desc(count)) %>% head(50) ->unikalne
Data%>%filter(res_name %in% unikalne$res_name ) -> Data

Data[, c(3:length(Data))] <- sapply(Data[, c(3:length(Data))], as.numeric)
print.data.frame(unikalne)
##    res_name count
## 1       SO4  5930
## 2       GOL  4976
## 3        CL  3656
## 4        ZN  3243
## 5        CA  2960
## 6       EDO  2862
## 7        MG  2249
## 8        NA  2058
## 9       NAG  2038
## 10      PO4  1681
## 11      ACT  1364
## 12      HEM  1349
## 13      PEG   752
## 14        K   691
## 15      FAD   664
## 16       MN   622
## 17      ADP   604
## 18      DMS   519
## 19      MES   477
## 20      NAD   447
## 21      MPD   425
## 22      NAP   414
## 23      MAN   404
## 24      TRS   401
## 25      PG4   377
## 26      ATP   365
## 27      FMN   329
## 28       CU   320
## 29      EPE   317
## 30      GDP   310
## 31      FMT   309
## 32       NI   307
## 33      BME   306
## 34      PGE   302
## 35      SEP   302
## 36      BMA   298
## 37      CIT   289
## 38      SAH   286
## 39      PLP   272
## 40       CD   270
## 41      ACE   268
## 42      IOD   266
## 43      ACY   252
## 44      ANP   248
## 45      TPO   244
## 46       FE   241
## 47      1PE   226
## 48      NDP   226
## 49      SF4   216
## 50      NO3   208

Podsumowanie danych

kable(summary(Data))
pdb_code res_name local_res_atom_non_h_count local_res_atom_non_h_electron_sum dict_atom_non_h_count dict_atom_non_h_electron_sum local_volume local_electrons local_mean local_std local_min local_max local_max_over_std local_skewness local_cut_by_mainchain_volume local_near_cut_count_C local_near_cut_count_other local_near_cut_count_S local_near_cut_count_O local_near_cut_count_N part_00_shape_segments_count part_00_density_segments_count part_00_volume part_00_electrons part_00_mean part_00_std part_00_max part_00_max_over_std part_00_skewness part_00_parts part_00_shape_O3 part_00_shape_O4 part_00_shape_O5 part_00_shape_FL part_00_shape_O3_norm part_00_shape_O4_norm part_00_shape_O5_norm part_00_shape_FL_norm part_00_shape_I1 part_00_shape_I2 part_00_shape_I3 part_00_shape_I4 part_00_shape_I5 part_00_shape_I6 part_00_shape_I1_norm part_00_shape_I2_norm part_00_shape_I3_norm part_00_shape_I4_norm part_00_shape_I5_norm part_00_shape_I6_norm part_00_shape_M000 part_00_shape_CI part_00_shape_E3_E1 part_00_shape_E2_E1 part_00_shape_E3_E2 part_00_shape_sqrt_E1 part_00_shape_sqrt_E2 part_00_shape_sqrt_E3 part_00_density_O3 part_00_density_O4 part_00_density_O5 part_00_density_FL part_00_density_O3_norm part_00_density_O4_norm part_00_density_O5_norm part_00_density_FL_norm part_00_density_I1 part_00_density_I2 part_00_density_I3 part_00_density_I4 part_00_density_I5 part_00_density_I6 part_00_density_I1_norm part_00_density_I2_norm part_00_density_I3_norm part_00_density_I4_norm part_00_density_I5_norm part_00_density_I6_norm part_00_density_M000 part_00_density_CI part_00_density_E3_E1 part_00_density_E2_E1 part_00_density_E3_E2 part_00_density_sqrt_E1 part_00_density_sqrt_E2 part_00_density_sqrt_E3 part_00_shape_Z_7_3 part_00_shape_Z_0_0 part_00_shape_Z_7_0 part_00_shape_Z_7_1 part_00_shape_Z_3_0 part_00_shape_Z_5_2 part_00_shape_Z_6_1 part_00_shape_Z_3_1 part_00_shape_Z_6_0 part_00_shape_Z_2_1 part_00_shape_Z_6_3 part_00_shape_Z_2_0 part_00_shape_Z_6_2 part_00_shape_Z_5_0 part_00_shape_Z_5_1 part_00_shape_Z_4_2 part_00_shape_Z_1_0 part_00_shape_Z_4_1 part_00_shape_Z_7_2 part_00_shape_Z_4_0 part_00_density_Z_7_3 part_00_density_Z_0_0 part_00_density_Z_7_0 part_00_density_Z_7_1 part_00_density_Z_3_0 part_00_density_Z_5_2 part_00_density_Z_6_1 part_00_density_Z_3_1 part_00_density_Z_6_0 part_00_density_Z_2_1 part_00_density_Z_6_3 part_00_density_Z_2_0 part_00_density_Z_6_2 part_00_density_Z_5_0 part_00_density_Z_5_1 part_00_density_Z_4_2 part_00_density_Z_1_0 part_00_density_Z_4_1 part_00_density_Z_7_2 part_00_density_Z_4_0 part_01_shape_segments_count part_01_density_segments_count part_01_volume part_01_electrons part_01_mean part_01_std part_01_max part_01_max_over_std part_01_skewness part_01_parts part_01_shape_O3 part_01_shape_O4 part_01_shape_O5 part_01_shape_FL part_01_shape_O3_norm part_01_shape_O4_norm part_01_shape_O5_norm part_01_shape_FL_norm part_01_shape_I1 part_01_shape_I2 part_01_shape_I3 part_01_shape_I4 part_01_shape_I5 part_01_shape_I6 part_01_shape_I1_norm part_01_shape_I2_norm part_01_shape_I3_norm part_01_shape_I4_norm part_01_shape_I5_norm part_01_shape_I6_norm part_01_shape_M000 part_01_shape_CI part_01_shape_E3_E1 part_01_shape_E2_E1 part_01_shape_E3_E2 part_01_shape_sqrt_E1 part_01_shape_sqrt_E2 part_01_shape_sqrt_E3 part_01_density_O3 part_01_density_O4 part_01_density_O5 part_01_density_FL part_01_density_O3_norm part_01_density_O4_norm part_01_density_O5_norm part_01_density_FL_norm part_01_density_I1 part_01_density_I2 part_01_density_I3 part_01_density_I4 part_01_density_I5 part_01_density_I6 part_01_density_I1_norm part_01_density_I2_norm part_01_density_I3_norm part_01_density_I4_norm part_01_density_I5_norm part_01_density_I6_norm part_01_density_M000 part_01_density_CI part_01_density_E3_E1 part_01_density_E2_E1 part_01_density_E3_E2 part_01_density_sqrt_E1 part_01_density_sqrt_E2 part_01_density_sqrt_E3 part_01_shape_Z_7_3 part_01_shape_Z_0_0 part_01_shape_Z_7_0 part_01_shape_Z_7_1 part_01_shape_Z_3_0 part_01_shape_Z_5_2 part_01_shape_Z_6_1 part_01_shape_Z_3_1 part_01_shape_Z_6_0 part_01_shape_Z_2_1 part_01_shape_Z_6_3 part_01_shape_Z_2_0 part_01_shape_Z_6_2 part_01_shape_Z_5_0 part_01_shape_Z_5_1 part_01_shape_Z_4_2 part_01_shape_Z_1_0 part_01_shape_Z_4_1 part_01_shape_Z_7_2 part_01_shape_Z_4_0 part_01_density_Z_7_3 part_01_density_Z_0_0 part_01_density_Z_7_0 part_01_density_Z_7_1 part_01_density_Z_3_0 part_01_density_Z_5_2 part_01_density_Z_6_1 part_01_density_Z_3_1 part_01_density_Z_6_0 part_01_density_Z_2_1 part_01_density_Z_6_3 part_01_density_Z_2_0 part_01_density_Z_6_2 part_01_density_Z_5_0 part_01_density_Z_5_1 part_01_density_Z_4_2 part_01_density_Z_1_0 part_01_density_Z_4_1 part_01_density_Z_7_2 part_01_density_Z_4_0 part_02_shape_segments_count part_02_density_segments_count part_02_volume part_02_electrons part_02_mean part_02_std part_02_max part_02_max_over_std part_02_skewness part_02_parts part_02_shape_O3 part_02_shape_O4 part_02_shape_O5 part_02_shape_FL part_02_shape_O3_norm part_02_shape_O4_norm part_02_shape_O5_norm part_02_shape_FL_norm part_02_shape_I1 part_02_shape_I2 part_02_shape_I3 part_02_shape_I4 part_02_shape_I5 part_02_shape_I6 part_02_shape_I1_norm part_02_shape_I2_norm part_02_shape_I3_norm part_02_shape_I4_norm part_02_shape_I5_norm part_02_shape_I6_norm part_02_shape_M000 part_02_shape_CI part_02_shape_E3_E1 part_02_shape_E2_E1 part_02_shape_E3_E2 part_02_shape_sqrt_E1 part_02_shape_sqrt_E2 part_02_shape_sqrt_E3 part_02_density_O3 part_02_density_O4 part_02_density_O5 part_02_density_FL part_02_density_O3_norm part_02_density_O4_norm part_02_density_O5_norm part_02_density_FL_norm part_02_density_I1 part_02_density_I2 part_02_density_I3 part_02_density_I4 part_02_density_I5 part_02_density_I6 part_02_density_I1_norm part_02_density_I2_norm part_02_density_I3_norm part_02_density_I4_norm part_02_density_I5_norm part_02_density_I6_norm part_02_density_M000 part_02_density_CI part_02_density_E3_E1 part_02_density_E2_E1 part_02_density_E3_E2 part_02_density_sqrt_E1 part_02_density_sqrt_E2 part_02_density_sqrt_E3 part_02_shape_Z_7_3 part_02_shape_Z_0_0 part_02_shape_Z_7_0 part_02_shape_Z_7_1 part_02_shape_Z_3_0 part_02_shape_Z_5_2 part_02_shape_Z_6_1 part_02_shape_Z_3_1 part_02_shape_Z_6_0 part_02_shape_Z_2_1 part_02_shape_Z_6_3 part_02_shape_Z_2_0 part_02_shape_Z_6_2 part_02_shape_Z_5_0 part_02_shape_Z_5_1 part_02_shape_Z_4_2 part_02_shape_Z_1_0 part_02_shape_Z_4_1 part_02_shape_Z_7_2 part_02_shape_Z_4_0 part_02_density_Z_7_3 part_02_density_Z_0_0 part_02_density_Z_7_0 part_02_density_Z_7_1 part_02_density_Z_3_0 part_02_density_Z_5_2 part_02_density_Z_6_1 part_02_density_Z_3_1 part_02_density_Z_6_0 part_02_density_Z_2_1 part_02_density_Z_6_3 part_02_density_Z_2_0 part_02_density_Z_6_2 part_02_density_Z_5_0 part_02_density_Z_5_1 part_02_density_Z_4_2 part_02_density_Z_1_0 part_02_density_Z_4_1 part_02_density_Z_7_2 part_02_density_Z_4_0 resolution FoFc_mean FoFc_square_std FoFc_min FoFc_max
4ji7 : 197 SO4 :24367 Min. : 1.000 Min. : 6.00 Min. : 1.00 Min. : 5 Min. : 49.25 Min. : 0.0117 Min. :0.0002377 Min. :0.004555 Min. :0 Min. : 0.0395 Min. : 2.848 Min. :0.01182 Min. : 0.0000 Min. : 0.000 Min. :0.00000 Min. :0.0000 Min. : 0.000 Min. : 0.00 Min. : 0.0 Min. : 0.0 Min. : 0.000 Min. : 0.000 Min. :0.0000 Min. :0.00000 Min. : 0.0000 Min. : 0.000 Min. : 1 Min. : 0.000 Min. : 1 Min. : 1 Min. : 1 Min. : 2 Min. : 1 Min. : 1 Min. : 1 Min. : 3 Min. : 1 Min. : 1 Min. : 1 Min. : 1 Min. : 3 Min. : 1 Min. : 1 Min. : 1 Min. : 1 Min. : 2 Min. : 1 Min. : 1 Min. : 1 Min. : 2 Min. : 3 Min. : 4 Min. : 1 Min. : 1 Min. : 2 Min. : 1 Min. : 1 Min. : 2 Min. : 2 Min. : 1 Min. : 1 Min. : 1 Min. : 1 Min. : 1 Min. : 3 Min. : 1 Min. : 1 Min. : 1 Min. : 1 Min. : 1 Min. : 1 Min. : 1 Min. : 1 Min. : 1 Min. : 1 Min. : 2 Min. : 1 Min. : 1 Min. : 3 Min. : 4 Min. : 1 Min. : 1 Min. : 2 Min. : 1 Min. : 1 Min. : 1 Min. : 1 Min. : 1 Min. : 2 Min. : 2 Min. : 1 Min. : 1 Min. : 1 Min. : 1 Min. : 1 Min. : 1 Min. : 1 Min. : 1 Min. : 1 Min. : 1 Min. : 4 Min. : 1 Min. : 1 Min. : 1 Min. : 1 Min. : 1 Min. : 1 Min. : 3 Min. : 1 Min. : 1 Min. : 1 Min. : 2 Min. : 1 Min. : 1 Min. : 1 Min. : 1 Min. : 1 Min. : 3 Min. : 1 Min. : 1 Min. : 1 Min. : 1 Min. : 1 Min. : 1 Min. : 0.0 Min. : 0.0 Min. : 0.000 Min. : 0.000 Min. :0.0000 Min. :0.00000 Min. : 0.0000 Min. : 0.000 Min. : 1 Min. : 0.000 Min. : 2 Min. : 2 Min. : 1 Min. : 1 Min. : 1 Min. : 2 Min. : 2 Min. : 1 Min. : 1 Min. : 2 Min. : 1 Min. : 1 Min. : 1 Min. : 1 Min. : 2 Min. : 2 Min. : 1 Min. : 1 Min. : 1 Min. : 1 Min. : 1 Min. : 1 Min. : 2 Min. : 4 Min. : 1 Min. : 5 Min. : 1 Min. : 3 Min. : 3 Min. : 1 Min. : 1 Min. : 4 Min. : 1 Min. : 1 Min. : 1 Min. : 2 Min. : 2 Min. : 2 Min. : 1 Min. : 5 Min. : 2 Min. : 1 Min. : 1 Min. : 1 Min. : 1 Min. : 4 Min. : 1 Min. : 1 Min. : 4 Min. : 1 Min. : 2 Min. : 4 Min. : 1 Min. : 4 Min. : 1 Min. : 3 Min. : 1 Min. : 1 Min. : 1 Min. : 1 Min. : 1 Min. : 1 Min. : 1 Min. : 1 Min. : 2 Min. : 1 Min. : 1 Min. : 1 Min. : 3 Min. : 1 Min. : 1 Min. : 1 Min. : 2 Min. : 1 Min. : 2 Min. : 2 Min. : 1 Min. : 2 Min. : 5 Min. : 1 Min. : 2 Min. : 1 Min. : 1 Min. : 4 Min. : 1 Min. : 2 Min. : 2 Min. : 1 Min. : 1 Min. : 1 Min. : 2 Min. : 2 Min. : 2 Min. : 1 Min. : 1 Min. : 2 Min. : 0.0 Min. : 0.0 Min. : 0.000 Min. : 0.000 Min. :0.0000 Min. :0.00000 Min. : 0.0000 Min. : 0.000 Min. : 1 Min. : 0.000 Min. : 2 Min. : 3 Min. : 1 Min. : 1 Min. : 2 Min. : 2 Min. : 3 Min. : 1 Min. : 2 Min. : 1 Min. : 2 Min. : 2 Min. : 1 Min. : 1 Min. : 2 Min. : 4 Min. : 1 Min. : 2 Min. : 1 Min. : 1 Min. : 1 Min. : 1 Min. : 3 Min. : 14 Min. : 2 Min. : 2 Min. : 1 Min. : 1 Min. : 1 Min. : 2 Min. : 2 Min. : 4 Min. : 1 Min. : 1 Min. : 1 Min. : 2 Min. : 1 Min. : 1 Min. : 1 Min. : 4 Min. : 3 Min. : 2 Min. : 1 Min. : 2 Min. : 1 Min. : 1 Min. : 1 Min. : 1 Min. : 1 Min. : 1 Min. : 3 Min. : 14 Min. : 2 Min. : 2 Min. : 1 Min. : 2 Min. : 4 Min. : 1 Min. : 1 Min. : 1 Min. : 1 Min. : 1 Min. : 1 Min. : 1 Min. : 1 Min. : 3 Min. : 1 Min. : 1 Min. : 1 Min. : 1 Min. : 1 Min. : 1 Min. : 1 Min. : 2 Min. : 1 Min. : 1 Min. : 2 Min. : 3 Min. : 1 Min. : 1 Min. : 1 Min. : 2 Min. : 1 Min. : 2 Min. : 1 Min. : 1 Min. : 1 Min. : 1 Min. : 3 Min. : 2 Min. : 1 Min. : 2 Min. : 1 Min. : 2 Min. : 3 Min. : 2 Min. :0.4801 Min. :-1.123e-07 Min. :0.0001508 Min. :-7.48341 Min. : 0.08806
4ji8 : 172 GOL :17584 1st Qu.: 1.000 1st Qu.: 28.00 1st Qu.: 1.00 1st Qu.:112 1st Qu.: 200.45 1st Qu.: 3.3265 1st Qu.:0.0124941 1st Qu.:0.070026 1st Qu.:0 1st Qu.: 0.5780 1st Qu.: 5.358 1st Qu.:0.12366 1st Qu.: 0.0000 1st Qu.: 0.000 1st Qu.:0.00000 1st Qu.:0.0000 1st Qu.: 0.000 1st Qu.: 0.00 1st Qu.: 3.0 1st Qu.: 3.0 1st Qu.: 6.392 1st Qu.: 3.310 1st Qu.:0.3714 1st Qu.:0.06709 1st Qu.: 0.5780 1st Qu.: 5.358 1st Qu.: 64782 1st Qu.: 1.000 1st Qu.: 61681 1st Qu.: 64238 1st Qu.: 62377 1st Qu.: 64305 1st Qu.: 49170 1st Qu.: 50071 1st Qu.: 53169 1st Qu.: 53791 1st Qu.: 62729 1st Qu.: 62322 1st Qu.: 62677 1st Qu.: 64362 1st Qu.: 64429 1st Qu.: 63005 1st Qu.: 49159 1st Qu.: 49919 1st Qu.: 48660 1st Qu.: 54350 1st Qu.: 61248 1st Qu.: 48809 1st Qu.: 6670 1st Qu.: 53995 1st Qu.: 81177 1st Qu.: 73728 1st Qu.: 79772 1st Qu.: 82470 1st Qu.: 64078 1st Qu.: 62962 1st Qu.: 62557 1st Qu.: 63841 1st Qu.: 62464 1st Qu.: 64106 1st Qu.: 47702 1st Qu.: 48236 1st Qu.: 49980 1st Qu.: 51906 1st Qu.: 61911 1st Qu.: 62430 1st Qu.: 62863 1st Qu.: 64019 1st Qu.: 64381 1st Qu.: 63653 1st Qu.: 47804 1st Qu.: 48391 1st Qu.: 47938 1st Qu.: 52728 1st Qu.: 58081 1st Qu.: 47585 1st Qu.: 59089 1st Qu.: 54265 1st Qu.: 81690 1st Qu.: 74112 1st Qu.: 80647 1st Qu.: 77304 1st Qu.: 62764 1st Qu.: 62319 1st Qu.: 62736 1st Qu.: 1138 1st Qu.: 61562 1st Qu.: 53452 1st Qu.: 59354 1st Qu.: 59435 1st Qu.: 53814 1st Qu.: 54365 1st Qu.: 60705 1st Qu.: 59104 1st Qu.: 65348 1st Qu.: 56087 1st Qu.: 61346 1st Qu.: 58384 1st Qu.: 55539 1st Qu.: 61535 1st Qu.: 83520 1st Qu.: 57777 1st Qu.: 59516 1st Qu.: 56647 1st Qu.: 55735 1st Qu.: 52593 1st Qu.: 67234 1st Qu.: 54403 1st Qu.: 68494 1st Qu.: 53806 1st Qu.: 55023 1st Qu.: 53545 1st Qu.: 62560 1st Qu.: 54722 1st Qu.: 56172 1st Qu.: 53307 1st Qu.: 55335 1st Qu.: 62313 1st Qu.: 53403 1st Qu.: 55649 1st Qu.: 83007 1st Qu.: 54344 1st Qu.: 54544 1st Qu.: 56838 1st Qu.: 3.0 1st Qu.: 3.0 1st Qu.: 4.048 1st Qu.: 2.262 1st Qu.:0.4069 1st Qu.:0.05493 1st Qu.: 0.5773 1st Qu.: 5.358 1st Qu.: 62705 1st Qu.: 1.000 1st Qu.: 61991 1st Qu.: 63856 1st Qu.: 62470 1st Qu.: 63948 1st Qu.: 49206 1st Qu.: 50234 1st Qu.: 54222 1st Qu.: 53928 1st Qu.: 62449 1st Qu.: 62592 1st Qu.: 62506 1st Qu.: 64140 1st Qu.: 64050 1st Qu.: 63663 1st Qu.: 49253 1st Qu.: 50089 1st Qu.: 48714 1st Qu.: 54095 1st Qu.: 62777 1st Qu.: 48866 1st Qu.: 6152 1st Qu.: 53549 1st Qu.: 80550 1st Qu.: 73391 1st Qu.: 81143 1st Qu.: 80096 1st Qu.: 64926 1st Qu.: 63476 1st Qu.: 62423 1st Qu.: 63796 1st Qu.: 62733 1st Qu.: 63755 1st Qu.: 47885 1st Qu.: 48374 1st Qu.: 49966 1st Qu.: 52555 1st Qu.: 61665 1st Qu.: 62719 1st Qu.: 63083 1st Qu.: 63854 1st Qu.: 63899 1st Qu.: 63998 1st Qu.: 47968 1st Qu.: 48510 1st Qu.: 48090 1st Qu.: 53300 1st Qu.: 58678 1st Qu.: 47763 1st Qu.: 59453 1st Qu.: 53725 1st Qu.: 81074 1st Qu.: 73902 1st Qu.: 81809 1st Qu.: 79276 1st Qu.: 62309 1st Qu.: 63162 1st Qu.: 59265 1st Qu.: 794 1st Qu.: 69071 1st Qu.: 52177 1st Qu.: 64144 1st Qu.: 55042 1st Qu.: 52151 1st Qu.: 52374 1st Qu.: 63765 1st Qu.: 55902 1st Qu.: 60371 1st Qu.: 53538 1st Qu.: 57018 1st Qu.: 62003 1st Qu.: 52917 1st Qu.: 57517 1st Qu.: 84964 1st Qu.: 54754 1st Qu.: 55806 1st Qu.: 58542 1st Qu.: 54360 1st Qu.: 52745 1st Qu.: 74614 1st Qu.: 55736 1st Qu.: 73040 1st Qu.: 52851 1st Qu.: 56980 1st Qu.: 54841 1st Qu.: 62827 1st Qu.: 52687 1st Qu.: 54419 1st Qu.: 53393 1st Qu.: 54474 1st Qu.: 68374 1st Qu.: 53780 1st Qu.: 53843 1st Qu.: 84461 1st Qu.: 53814 1st Qu.: 53804 1st Qu.: 58459 1st Qu.: 1.0 1st Qu.: 1.0 1st Qu.: 2.368 1st Qu.: 1.406 1st Qu.:0.4233 1st Qu.:0.04225 1st Qu.: 0.5635 1st Qu.: 5.358 1st Qu.: 48193 1st Qu.: 1.000 1st Qu.: 61487 1st Qu.: 62951 1st Qu.: 62212 1st Qu.: 63065 1st Qu.: 48262 1st Qu.: 49363 1st Qu.: 53142 1st Qu.: 52705 1st Qu.: 61576 1st Qu.: 62457 1st Qu.: 62517 1st Qu.: 62888 1st Qu.: 62771 1st Qu.: 63072 1st Qu.: 48581 1st Qu.: 49273 1st Qu.: 48065 1st Qu.: 53317 1st Qu.: 65382 1st Qu.: 48201 1st Qu.: 5783 1st Qu.: 52152 1st Qu.: 81592 1st Qu.: 74279 1st Qu.: 82320 1st Qu.: 78255 1st Qu.: 58828 1st Qu.: 61327 1st Qu.: 62416 1st Qu.: 62552 1st Qu.: 62472 1st Qu.: 62801 1st Qu.: 48016 1st Qu.: 48465 1st Qu.: 49853 1st Qu.: 51747 1st Qu.: 61048 1st Qu.: 62774 1st Qu.: 62654 1st Qu.: 62926 1st Qu.: 63199 1st Qu.: 62905 1st Qu.: 48131 1st Qu.: 48639 1st Qu.: 48267 1st Qu.: 52142 1st Qu.: 59545 1st Qu.: 47940 1st Qu.: 59149 1st Qu.: 52293 1st Qu.: 82092 1st Qu.: 74817 1st Qu.: 82708 1st Qu.: 77656 1st Qu.: 58516 1st Qu.: 61094 1st Qu.: 56835 1st Qu.: 693 1st Qu.: 79597 1st Qu.: 52830 1st Qu.: 72939 1st Qu.: 52570 1st Qu.: 51967 1st Qu.: 52209 1st Qu.: 63833 1st Qu.: 53165 1st Qu.: 56051 1st Qu.: 52513 1st Qu.: 53683 1st Qu.: 71203 1st Qu.: 52935 1st Qu.: 53868 1st Qu.: 85132 1st Qu.: 52805 1st Qu.: 53975 1st Qu.: 60413 1st Qu.: 54154 1st Qu.: 53496 1st Qu.: 80393 1st Qu.: 59089 1st Qu.: 77645 1st Qu.: 53050 1st Qu.: 58565 1st Qu.: 58172 1st Qu.: 59829 1st Qu.: 51762 1st Qu.: 53302 1st Qu.: 54076 1st Qu.: 54386 1st Qu.: 73623 1st Qu.: 56315 1st Qu.: 52791 1st Qu.: 84777 1st Qu.: 53871 1st Qu.: 54495 1st Qu.: 57539 1st Qu.:1.7963 1st Qu.:-5.158e-11 1st Qu.:0.0083730 1st Qu.:-0.85428 1st Qu.: 1.19132
1w2z : 170 EDO :13620 Median : 5.000 Median : 42.00 Median :40.00 Median :223 Median : 297.00 Median : 6.6659 Median :0.0191020 Median :0.100572 Median :0 Median : 0.9034 Median : 7.301 Median :0.17803 Median : 0.0000 Median : 2.000 Median :0.00000 Median :0.0000 Median : 1.000 Median : 1.00 Median : 15.0 Median : 15.0 Median : 12.080 Median : 6.617 Median :0.5252 Median :0.12596 Median : 0.9034 Median : 7.301 Median :128011 Median : 1.000 Median :125212 Median :128182 Median :125031 Median :125586 Median :103498 Median :104481 Median :107719 Median :111232 Median :124736 Median :124824 Median :124907 Median :125984 Median :126082 Median :124982 Median :103923 Median :104427 Median :103928 Median :115070 Median :130443 Median :103706 Median :14415 Median :124113 Median :146745 Median :139183 Median :143089 Median :135707 Median :116444 Median :119019 Median :125955 Median :127736 Median :125324 Median :126141 Median :102971 Median :103803 Median :108439 Median :110229 Median :123950 Median :124763 Median :125592 Median :126586 Median :126512 Median :125501 Median :103476 Median :104324 Median :104485 Median :112838 Median :124902 Median :103199 Median :121384 Median :124122 Median :147616 Median :140009 Median :143724 Median :134058 Median :115053 Median :118202 Median :115640 Median : 1980 Median :137680 Median :110042 Median :128175 Median :111492 Median :107856 Median :108081 Median :128343 Median :112028 Median :117374 Median :109403 Median :113088 Median :130511 Median :109728 Median :114664 Median :143911 Median :111027 Median :111813 Median :122395 Median :109858 Median :107371 Median :138780 Median :128114 Median :137588 Median :109355 Median :114763 Median :124938 Median :127966 Median :106652 Median :110100 Median :108433 Median :110415 Median :135049 Median :115100 Median :108146 Median :143644 Median :107346 Median :110982 Median :120859 Median : 9.0 Median : 9.0 Median : 8.824 Median : 5.302 Median :0.5754 Median :0.11287 Median : 0.9034 Median : 7.301 Median :125240 Median : 1.000 Median :125411 Median :127771 Median :124857 Median :126091 Median :103427 Median :104373 Median :107205 Median :111128 Median :124466 Median :124965 Median :124806 Median :126503 Median :126417 Median :125473 Median :103793 Median :104346 Median :103660 Median :117188 Median :136222 Median :103514 Median :12208 Median :123978 Median :146867 Median :139939 Median :143448 Median :135671 Median :116907 Median :119457 Median :125837 Median :127013 Median :124978 Median :126277 Median :102435 Median :103297 Median :107572 Median :109804 Median :123685 Median :124825 Median :125288 Median :126850 Median :127106 Median :126074 Median :102848 Median :103883 Median :103727 Median :113053 Median :129254 Median :102494 Median :121914 Median :124032 Median :147502 Median :140580 Median :143748 Median :134452 Median :115894 Median :118871 Median :110957 Median : 1742 Median :138857 Median :118321 Median :132084 Median :107851 Median :110448 Median :110748 Median :130688 Median :107437 Median :111654 Median :108016 Median :108647 Median :129972 Median :112465 Median :109562 Median :141956 Median :108641 Median :108767 Median :126200 Median :111118 Median :111582 Median :136403 Median :134483 Median :134887 Median :114995 Median :118994 Median :133207 Median :127332 Median :105738 Median :111348 Median :112349 Median :113362 Median :132647 Median :129834 Median :108172 Median :141922 Median :109022 Median :119392 Median :122776 Median : 5.0 Median : 5.0 Median : 6.336 Median : 4.148 Median :0.6176 Median :0.09950 Median : 0.9014 Median : 7.301 Median :110021 Median : 1.000 Median :124082 Median :125663 Median :123983 Median :125719 Median :100698 Median :102137 Median :104779 Median :110552 Median :123112 Median :124068 Median :124093 Median :126050 Median :125938 Median :125058 Median :101671 Median :102110 Median :101542 Median :121340 Median :139422 Median :101439 Median :10918 Median :121286 Median :145536 Median :139712 Median :141747 Median :132377 Median :114054 Median :117041 Median :125160 Median :124915 Median :124321 Median :126006 Median :101297 Median :102289 Median :106222 Median :107835 Median :122797 Median :124764 Median :124535 Median :126131 Median :126156 Median :125365 Median :101345 Median :102562 Median :101976 Median :113065 Median :136751 Median :101014 Median :121932 Median :121425 Median :145832 Median :140162 Median :141942 Median :131290 Median :113281 Median :116428 Median :108284 Median : 1994 Median :136368 Median :134689 Median :133809 Median :111217 Median :114826 Median :124498 Median :129027 Median :104906 Median :108009 Median :111883 Median :108487 Median :133119 Median :125280 Median :106893 Median :139169 Median :110261 Median :110314 Median :126683 Median :117495 Median :118086 Median :135730 Median :136600 Median :133026 Median :130934 Median :124815 Median :132843 Median :125033 Median :106789 Median :113248 Median :117161 Median :116005 Median :133348 Median :129318 Median :110203 Median :139202 Median :112628 Median :133524 Median :122531 Median :2.0297 Median : 7.000e-13 Median :0.0152761 Median :-0.67274 Median : 1.93356
4ttg : 159 NAG :11560 Mean : 8.576 Mean : 68.28 Mean :30.18 Mean :232 Mean : 679.76 Mean : 14.6135 Mean :0.0247306 Mean :0.128190 Mean :0 Mean : 1.3796 Mean : 9.904 Mean :0.23250 Mean : 0.3652 Mean : 3.886 Mean :0.01076 Mean :0.1332 Mean : 1.998 Mean : 2.02 Mean : 251.8 Mean : 251.8 Mean : 26.681 Mean : 14.413 Mean :0.6213 Mean :0.22371 Mean : 1.3796 Mean : 9.904 Mean :127832 Mean : 1.064 Mean :124971 Mean :126960 Mean :124931 Mean :126180 Mean :109380 Mean :109901 Mean :112184 Mean :117297 Mean :125007 Mean :124935 Mean :125018 Mean :126402 Mean :126674 Mean :125197 Mean :109691 Mean :109975 Mean :109797 Mean :120816 Mean :129034 Mean :109589 Mean :13186 Mean :119072 Mean :140166 Mean :135014 Mean :137723 Mean :133044 Mean :117362 Mean :119683 Mean :125335 Mean :126930 Mean :125063 Mean :126476 Mean :109888 Mean :110681 Mean :114439 Mean :116710 Mean :124388 Mean :124864 Mean :125366 Mean :126713 Mean :126854 Mean :125734 Mean :110380 Mean :111467 Mean :111309 Mean :118804 Mean :126191 Mean :110132 Mean :123601 Mean :119215 Mean :140625 Mean :135423 Mean :138198 Mean :131726 Mean :116292 Mean :119076 Mean :118332 Mean : 4977 Mean :130251 Mean :118872 Mean :127645 Mean :117464 Mean :116064 Mean :117488 Mean :127312 Mean :114778 Mean :120013 Mean :116304 Mean :117662 Mean :125675 Mean :117576 Mean :117601 Mean :138347 Mean :116394 Mean :117990 Mean :123874 Mean :118391 Mean :117975 Mean :131611 Mean :124195 Mean :131840 Mean :118609 Mean :119817 Mean :124555 Mean :125346 Mean :113447 Mean :116011 Mean :117455 Mean :116534 Mean :129043 Mean :121084 Mean :114293 Mean :138112 Mean :114754 Mean :119782 Mean :123802 Mean : 208.7 Mean : 208.7 Mean : 20.430 Mean : 12.428 Mean :0.6749 Mean :0.21268 Mean : 1.3776 Mean : 9.882 Mean :125460 Mean : 1.227 Mean :124864 Mean :126669 Mean :124833 Mean :126197 Mean :109512 Mean :109941 Mean :112316 Mean :118278 Mean :124691 Mean :124844 Mean :124813 Mean :126349 Mean :126523 Mean :125568 Mean :109888 Mean :110052 Mean :109944 Mean :122213 Mean :130164 Mean :109750 Mean :11436 Mean :118558 Mean :139646 Mean :134824 Mean :137922 Mean :132177 Mean :117358 Mean :120011 Mean :125209 Mean :126485 Mean :124916 Mean :126326 Mean :109647 Mean :110166 Mean :113767 Mean :117078 Mean :124224 Mean :124953 Mean :125111 Mean :126531 Mean :126558 Mean :125948 Mean :110095 Mean :111089 Mean :111139 Mean :119578 Mean :127367 Mean :109894 Mean :123612 Mean :118659 Mean :140031 Mean :135191 Mean :138261 Mean :130987 Mean :116571 Mean :119522 Mean :116859 Mean : 5580 Mean :131206 Mean :121463 Mean :129390 Mean :117185 Mean :117555 Mean :119582 Mean :128167 Mean :113869 Mean :117326 Mean :117577 Mean :116035 Mean :127386 Mean :119214 Mean :115599 Mean :136705 Mean :116299 Mean :118072 Mean :126014 Mean :120103 Mean :120656 Mean :131532 Mean :126414 Mean :131629 Mean :121002 Mean :122702 Mean :126905 Mean :125551 Mean :114628 Mean :117019 Mean :120214 Mean :118412 Mean :129613 Mean :123731 Mean :115439 Mean :136566 Mean :116539 Mean :122095 Mean :124683 Mean : 174.1 Mean : 174.1 Mean : 15.752 Mean : 10.669 Mean :0.7060 Mean :0.20092 Mean : 1.3553 Mean : 9.691 Mean :111065 Mean : 1.229 Mean :123171 Mean :125070 Mean :123432 Mean :124763 Mean :108247 Mean :108964 Mean :111052 Mean :117904 Mean :122996 Mean :123568 Mean :123605 Mean :124931 Mean :124996 Mean :124261 Mean :109033 Mean :109090 Mean :109043 Mean :122293 Mean :129510 Mean :108910 Mean :10314 Mean :116908 Mean :137397 Mean :133157 Mean :136017 Mean :128132 Mean :115321 Mean :118185 Mean :123931 Mean :124729 Mean :123773 Mean :124915 Mean :109024 Mean :109404 Mean :112695 Mean :116064 Mean :122774 Mean :124040 Mean :123808 Mean :125169 Mean :125273 Mean :124341 Mean :109297 Mean :110244 Mean :110267 Mean :118784 Mean :126906 Mean :109161 Mean :122445 Mean :117037 Mean :137681 Mean :133459 Mean :136231 Mean :127151 Mean :114824 Mean :117795 Mean :116218 Mean : 6174 Mean :130509 Mean :123493 Mean :128845 Mean :118434 Mean :118937 Mean :121637 Mean :125836 Mean :114102 Mean :115757 Mean :118687 Mean :115531 Mean :127567 Mean :121509 Mean :114799 Mean :134543 Mean :117053 Mean :118975 Mean :125445 Mean :121176 Mean :121387 Mean :130607 Mean :127100 Mean :129435 Mean :122382 Mean :122838 Mean :127174 Mean :122879 Mean :115677 Mean :117410 Mean :121097 Mean :118789 Mean :128813 Mean :124843 Mean :116322 Mean :134470 Mean :117484 Mean :123390 Mean :122620 Mean :2.1193 Mean : 2.728e-11 Mean :0.0194943 Mean :-0.70518 Mean : 2.72882
3i3d : 158 CL :10018 3rd Qu.: 7.000 3rd Qu.: 53.00 3rd Qu.:51.00 3rd Qu.:383 3rd Qu.: 507.90 3rd Qu.: 14.2004 3rd Qu.:0.0298915 3rd Qu.:0.149072 3rd Qu.:0 3rd Qu.: 1.5508 3rd Qu.: 11.615 3rd Qu.:0.26661 3rd Qu.: 0.0240 3rd Qu.: 5.000 3rd Qu.:0.00000 3rd Qu.:0.0000 3rd Qu.: 3.000 3rd Qu.: 3.00 3rd Qu.: 59.0 3rd Qu.: 59.0 3rd Qu.: 23.336 3rd Qu.: 13.886 3rd Qu.:0.7370 3rd Qu.:0.25203 3rd Qu.: 1.5508 3rd Qu.: 11.615 3rd Qu.:191874 3rd Qu.: 1.000 3rd Qu.:187967 3rd Qu.:188366 3rd Qu.:187395 3rd Qu.:188615 3rd Qu.:165018 3rd Qu.:165008 3rd Qu.:167544 3rd Qu.:177864 3rd Qu.:187168 3rd Qu.:187484 3rd Qu.:187335 3rd Qu.:188466 3rd Qu.:188304 3rd Qu.:188040 3rd Qu.:165603 3rd Qu.:165356 3rd Qu.:166456 3rd Qu.:187416 3rd Qu.:197693 3rd Qu.:165873 3rd Qu.:19409 3rd Qu.:178428 3rd Qu.:202438 3rd Qu.:198510 3rd Qu.:198990 3rd Qu.:187375 3rd Qu.:168642 3rd Qu.:174216 3rd Qu.:187965 3rd Qu.:188108 3rd Qu.:187665 3rd Qu.:188221 3rd Qu.:167938 3rd Qu.:169400 3rd Qu.:175784 3rd Qu.:179350 3rd Qu.:186762 3rd Qu.:187476 3rd Qu.:187904 3rd Qu.:188652 3rd Qu.:188418 3rd Qu.:188404 3rd Qu.:169100 3rd Qu.:170985 3rd Qu.:170984 3rd Qu.:183576 3rd Qu.:197686 3rd Qu.:168832 3rd Qu.:188528 3rd Qu.:178616 3rd Qu.:202623 3rd Qu.:198849 3rd Qu.:199341 3rd Qu.:185998 3rd Qu.:167452 3rd Qu.:173222 3rd Qu.:170991 3rd Qu.: 4390 3rd Qu.:194730 3rd Qu.:188129 3rd Qu.:195207 3rd Qu.:173557 3rd Qu.:177369 3rd Qu.:183395 3rd Qu.:193957 3rd Qu.:165965 3rd Qu.:172806 3rd Qu.:172798 3rd Qu.:172409 3rd Qu.:189594 3rd Qu.:182442 3rd Qu.:170239 3rd Qu.:197037 3rd Qu.:173172 3rd Qu.:175077 3rd Qu.:192783 3rd Qu.:186524 3rd Qu.:190072 3rd Qu.:194475 3rd Qu.:193440 3rd Qu.:194491 3rd Qu.:186062 3rd Qu.:182002 3rd Qu.:195089 3rd Qu.:188994 3rd Qu.:164376 3rd Qu.:173147 3rd Qu.:187067 3rd Qu.:174571 3rd Qu.:192805 3rd Qu.:189753 3rd Qu.:167960 3rd Qu.:196988 3rd Qu.:170313 3rd Qu.:188514 3rd Qu.:192121 3rd Qu.: 38.0 3rd Qu.: 38.0 3rd Qu.: 17.792 3rd Qu.: 12.088 3rd Qu.:0.8048 3rd Qu.:0.24057 3rd Qu.: 1.5508 3rd Qu.: 11.615 3rd Qu.:189350 3rd Qu.: 1.000 3rd Qu.:187370 3rd Qu.:187605 3rd Qu.:187261 3rd Qu.:187812 3rd Qu.:165003 3rd Qu.:164587 3rd Qu.:166477 3rd Qu.:181987 3rd Qu.:186752 3rd Qu.:187242 3rd Qu.:187239 3rd Qu.:187797 3rd Qu.:187790 3rd Qu.:187947 3rd Qu.:165872 3rd Qu.:165000 3rd Qu.:166804 3rd Qu.:195415 3rd Qu.:196209 3rd Qu.:166080 3rd Qu.:16560 3rd Qu.:177552 3rd Qu.:201648 3rd Qu.:198172 3rd Qu.:198574 3rd Qu.:186503 3rd Qu.:168264 3rd Qu.:174481 3rd Qu.:187975 3rd Qu.:187369 3rd Qu.:187336 3rd Qu.:187746 3rd Qu.:167022 3rd Qu.:167750 3rd Qu.:173977 3rd Qu.:180904 3rd Qu.:186752 3rd Qu.:187534 3rd Qu.:187557 3rd Qu.:187922 3rd Qu.:187635 3rd Qu.:187837 3rd Qu.:168124 3rd Qu.:169684 3rd Qu.:170659 3rd Qu.:187002 3rd Qu.:195803 3rd Qu.:167980 3rd Qu.:188227 3rd Qu.:177600 3rd Qu.:201789 3rd Qu.:198415 3rd Qu.:198821 3rd Qu.:185306 3rd Qu.:167253 3rd Qu.:173543 3rd Qu.:171182 3rd Qu.: 9423 3rd Qu.:192801 3rd Qu.:188596 3rd Qu.:194297 3rd Qu.:184416 3rd Qu.:185280 3rd Qu.:190312 3rd Qu.:193091 3rd Qu.:166334 3rd Qu.:173167 3rd Qu.:184285 3rd Qu.:174062 3rd Qu.:188755 3rd Qu.:184376 3rd Qu.:171546 3rd Qu.:192766 3rd Qu.:176111 3rd Qu.:187142 3rd Qu.:194811 3rd Qu.:190259 3rd Qu.:192830 3rd Qu.:190179 3rd Qu.:191208 3rd Qu.:193253 3rd Qu.:190077 3rd Qu.:189613 3rd Qu.:195827 3rd Qu.:187535 3rd Qu.:175181 3rd Qu.:180837 3rd Qu.:190577 3rd Qu.:183109 3rd Qu.:190511 3rd Qu.:190574 3rd Qu.:175127 3rd Qu.:192753 3rd Qu.:178699 3rd Qu.:187819 3rd Qu.:192355 3rd Qu.: 24.0 3rd Qu.: 24.0 3rd Qu.: 13.824 3rd Qu.: 10.521 3rd Qu.:0.8690 3rd Qu.:0.22900 3rd Qu.: 1.5505 3rd Qu.: 11.615 3rd Qu.:174359 3rd Qu.: 1.000 3rd Qu.:185554 3rd Qu.:186495 3rd Qu.:185417 3rd Qu.:186522 3rd Qu.:163745 3rd Qu.:163561 3rd Qu.:164819 3rd Qu.:189322 3rd Qu.:185185 3rd Qu.:185677 3rd Qu.:185694 3rd Qu.:186786 3rd Qu.:187098 3rd Qu.:186073 3rd Qu.:165263 3rd Qu.:164167 3rd Qu.:166012 3rd Qu.:192017 3rd Qu.:192549 3rd Qu.:165503 3rd Qu.:14770 3rd Qu.:174976 3rd Qu.:197320 3rd Qu.:194807 3rd Qu.:194917 3rd Qu.:182375 3rd Qu.:165459 3rd Qu.:172537 3rd Qu.:186365 3rd Qu.:186401 3rd Qu.:185779 3rd Qu.:186727 3rd Qu.:165942 3rd Qu.:166025 3rd Qu.:172531 3rd Qu.:184045 3rd Qu.:185255 3rd Qu.:185993 3rd Qu.:185410 3rd Qu.:187162 3rd Qu.:187246 3rd Qu.:185934 3rd Qu.:167024 3rd Qu.:168629 3rd Qu.:169925 3rd Qu.:189164 3rd Qu.:191877 3rd Qu.:166915 3rd Qu.:186737 3rd Qu.:174989 3rd Qu.:197390 3rd Qu.:195015 3rd Qu.:195061 3rd Qu.:181366 3rd Qu.:164638 3rd Qu.:171516 3rd Qu.:183437 3rd Qu.:13746 3rd Qu.:188551 3rd Qu.:189355 3rd Qu.:190387 3rd Qu.:184537 3rd Qu.:185022 3rd Qu.:189715 3rd Qu.:189561 3rd Qu.:176865 3rd Qu.:176838 3rd Qu.:189040 3rd Qu.:178247 3rd Qu.:187309 3rd Qu.:187755 3rd Qu.:177643 3rd Qu.:188430 3rd Qu.:182236 3rd Qu.:186523 3rd Qu.:191228 3rd Qu.:187863 3rd Qu.:191214 3rd Qu.:187050 3rd Qu.:189474 3rd Qu.:188787 3rd Qu.:188542 3rd Qu.:187751 3rd Qu.:192392 3rd Qu.:184140 3rd Qu.:185850 3rd Qu.:179247 3rd Qu.:191060 3rd Qu.:181417 3rd Qu.:187501 3rd Qu.:189862 3rd Qu.:181181 3rd Qu.:188447 3rd Qu.:184945 3rd Qu.:188326 3rd Qu.:188650 3rd Qu.:2.4003 3rd Qu.: 5.260e-11 3rd Qu.:0.0254368 3rd Qu.:-0.50497 3rd Qu.: 3.27288
3a68 : 150 CA : 8606 Max. :53.000 Max. :375.00 Max. :81.00 Max. :483 Max. :36410.37 Max. :338.4980 Max. :0.2441510 Max. :1.877660 Max. :0 Max. :33.7786 Max. :133.748 Max. :4.03515 Max. :29.2000 Max. :101.000 Max. :7.00000 Max. :9.0000 Max. :36.000 Max. :33.00 Max. :31426.0 Max. :31426.0 Max. :2092.320 Max. :338.498 Max. :8.5969 Max. :7.23422 Max. :33.7786 Max. :133.748 Max. :249909 Max. :28.000 Max. :249912 Max. :249913 Max. :249912 Max. :249913 Max. :249904 Max. :249906 Max. :249904 Max. :249910 Max. :249911 Max. :249911 Max. :249912 Max. :249912 Max. :249913 Max. :249913 Max. :249908 Max. :249912 Max. :249911 Max. :249912 Max. :249911 Max. :249910 Max. :24611 Max. :249912 Max. :249910 Max. :249908 Max. :249911 Max. :249909 Max. :249906 Max. :249903 Max. :249911 Max. :249911 Max. :249913 Max. :249913 Max. :249911 Max. :249909 Max. :249910 Max. :249912 Max. :249909 Max. :249913 Max. :249912 Max. :249913 Max. :249912 Max. :249913 Max. :249908 Max. :249910 Max. :249911 Max. :249913 Max. :249911 Max. :249912 Max. :249911 Max. :249913 Max. :249909 Max. :249910 Max. :249911 Max. :249908 Max. :249908 Max. :249908 Max. :249904 Max. :24611 Max. :249908 Max. :249911 Max. :249907 Max. :249905 Max. :249909 Max. :249901 Max. :249912 Max. :249909 Max. :249906 Max. :249909 Max. :249906 Max. :249911 Max. :249910 Max. :249907 Max. :249878 Max. :249909 Max. :249912 Max. :249910 Max. :249910 Max. :249906 Max. :249905 Max. :249910 Max. :249912 Max. :249911 Max. :249908 Max. :249906 Max. :249910 Max. :249905 Max. :249911 Max. :249907 Max. :249909 Max. :249911 Max. :249906 Max. :249908 Max. :249876 Max. :249909 Max. :249908 Max. :249909 Max. :24589.0 Max. :24589.0 Max. :1152.608 Max. :219.864 Max. :8.8575 Max. :7.21429 Max. :33.7786 Max. :133.748 Max. :247747 Max. :24.000 Max. :247661 Max. :247749 Max. :247750 Max. :247749 Max. :247676 Max. :247740 Max. :247736 Max. :247748 Max. :247751 Max. :247750 Max. :247751 Max. :247749 Max. :247749 Max. :247751 Max. :247749 Max. :247745 Max. :247751 Max. :247747 Max. :247749 Max. :247745 Max. :21498 Max. :247748 Max. :247743 Max. :247747 Max. :247745 Max. :247746 Max. :247748 Max. :247742 Max. :247753 Max. :247753 Max. :247753 Max. :247752 Max. :247750 Max. :247751 Max. :247752 Max. :247753 Max. :247753 Max. :247752 Max. :247753 Max. :247753 Max. :247752 Max. :247752 Max. :247748 Max. :247752 Max. :247752 Max. :247752 Max. :247752 Max. :247751 Max. :247752 Max. :247751 Max. :247745 Max. :247750 Max. :247751 Max. :247748 Max. :247745 Max. :247741 Max. :247744 Max. :21498 Max. :247750 Max. :247745 Max. :247749 Max. :247749 Max. :247749 Max. :247749 Max. :247747 Max. :247743 Max. :247749 Max. :247745 Max. :247747 Max. :247750 Max. :247741 Max. :247747 Max. :247733 Max. :247748 Max. :247746 Max. :247747 Max. :247748 Max. :247747 Max. :247751 Max. :247750 Max. :247746 Max. :247747 Max. :247750 Max. :247749 Max. :247748 Max. :247751 Max. :247746 Max. :247745 Max. :247752 Max. :247750 Max. :247750 Max. :247752 Max. :247725 Max. :247750 Max. :247752 Max. :247749 Max. :22058.0 Max. :22058.0 Max. :693.432 Max. :202.574 Max. :8.9728 Max. :7.20430 Max. :33.7786 Max. :133.748 Max. :233080 Max. :26.000 Max. :232277 Max. :233062 Max. :233068 Max. :233078 Max. :232374 Max. :233051 Max. :233058 Max. :233080 Max. :233080 Max. :233089 Max. :233081 Max. :233080 Max. :233074 Max. :233081 Max. :233080 Max. :233087 Max. :233076 Max. :233080 Max. :233074 Max. :233080 Max. :18658 Max. :233071 Max. :233077 Max. :233073 Max. :233080 Max. :233075 Max. :233068 Max. :233072 Max. :233097 Max. :233097 Max. :233096 Max. :233097 Max. :233095 Max. :233093 Max. :233095 Max. :233097 Max. :233096 Max. :233096 Max. :233097 Max. :233097 Max. :233097 Max. :233097 Max. :233097 Max. :233096 Max. :233096 Max. :233097 Max. :233097 Max. :233096 Max. :233093 Max. :233095 Max. :233094 Max. :233091 Max. :233091 Max. :233092 Max. :233094 Max. :233089 Max. :233085 Max. :18658 Max. :233090 Max. :233092 Max. :233092 Max. :233088 Max. :233085 Max. :233091 Max. :233077 Max. :233084 Max. :233088 Max. :233060 Max. :233086 Max. :233090 Max. :233090 Max. :233088 Max. :233067 Max. :233084 Max. :233092 Max. :233080 Max. :233090 Max. :233091 Max. :233093 Max. :233092 Max. :233092 Max. :233093 Max. :233092 Max. :233095 Max. :233095 Max. :233093 Max. :233094 Max. :233094 Max. :233097 Max. :233094 Max. :233095 Max. :233093 Max. :233074 Max. :233094 Max. :233097 Max. :233091 Max. :7.6017 Max. : 2.551e-07 Max. :0.6359637 Max. :-0.07017 Max. :43.35182
(Other):159462 (Other):74713 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA

Korelacje miedzy zmiennymi

Korelacje miedzy zmiennymi.

corrplot(cor(Data %>% select(local_res_atom_non_h_count:local_std,local_max:FoFc_max)),method="color", tl.cex = 0.1)

Wykresy rozkładów liczby atomów oraz elektronów

Rozklad liczby atomów

ggplotly(ggplot(Data, aes(x=local_res_atom_non_h_count)) + geom_histogram(col=I("black"),bins = 30) )

Rozklad liczby elektronów

ggplotly(ggplot(Data, aes(x=local_res_atom_non_h_electron_sum)) + geom_histogram(col=I("black"),bins = 30))

Największa niezgodność

10 klas z największą niezgodnością liczby atomów

kable(head(Data%>%select(res_name, local_res_atom_non_h_count,dict_atom_non_h_count)%>%group_by(res_name)%>%summarise_all(funs(sum))%>%mutate(delta = abs(local_res_atom_non_h_count - dict_atom_non_h_count))%>%arrange(desc(delta)),10))
res_name local_res_atom_non_h_count dict_atom_non_h_count delta
SO4 121782 1242717 1120935
GOL 105468 1090208 984740
EDO 54474 544800 490326
PO4 22570 230520 207950
PEG 14735 154468 139733
ACT 13530 135360 121830
DMS 10752 107520 96768
MPD 9755 98820 89065
SF4 6113 61965 55852
TRS 5488 55809 50321

Rozklad wartosci kolumn ‘part’

part <- Data %>% select(part_01_shape_segments_count:part_01_density_Z_4_0)
for (i in 1:length(part)) {
  Bez_NA <-  part[,i][!is.na(part[,i])]
  
  avg <- mean(Bez_NA)
  
    p <- ggplot() + aes(Bez_NA) + geom_bar(col=I("black")) + xlab(names(part[i])) + geom_vline(xintercept=avg, color="red") + annotate("text", x=avg,y=-10, label=c(avg), color="red")
  
  print(p)
  
}

Przewidywanie liczby elektronów i atomów na podstawie innych kolumn

lm_data <- Data
lm_data[is.na(lm_data)] <- 0
lm_data <- lm_data[sapply(lm_data, is.numeric)]
lm_atom_model <- lm(local_res_atom_non_h_count ~ ., lm_data)
lm_atom_summary <- summary(lm_atom_model)
lm_electron_model <- lm(local_res_atom_non_h_electron_sum ~ ., lm_data)
lm_electron_summary <- summary(lm_electron_model)

Miary dla liczby atomow: R^2: 0.9898659 RMSE 1.1878111

Miary dla liczby elektronow: R^2: 0.989467 RMSE 8.3261531

Klasyfikator Bayesa na atrybucie res_name

Data<-Data[1:3000,]
Klasyfikator<-predict(naiveBayes(res_name ~., data=Data[-1]),Data[-1])
Klasyfikator == Data$res_name
##    [1] FALSE  TRUE  TRUE  TRUE  TRUE  TRUE  TRUE  TRUE  TRUE FALSE  TRUE
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## [2839] FALSE FALSE  TRUE FALSE FALSE FALSE  TRUE  TRUE FALSE FALSE  TRUE
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## [2894]  TRUE  TRUE  TRUE FALSE FALSE FALSE FALSE FALSE  TRUE  TRUE FALSE
## [2905] FALSE FALSE FALSE FALSE  TRUE  TRUE  TRUE  TRUE FALSE FALSE  TRUE
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Dokładność klasyfikatora: 2.0215633